COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150576
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccncc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 463.58
Empirical Formula: C27H33N3O4

Physical State: Dry powder
Available Amount: 252 mg

Lipinsky:
logP: 3.23
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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